SCHEMBL1505992

SCHEMBL1505992

O=c1cc(-c2cncc(Br)c2)[nH][nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
GAA P10253 6/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
KDM4E B2RXH2 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
THRB P10828 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
PTK2 Q05397 1/20 0.42
PKM P14618 2/20 0.41
USP2 O75604 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
CYP2A6 P11509 2/20 0.40
POLB P06746 2/20 0.37
HCAR2 Q8TDS4 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14392676 0.72 CYP2A6 (0.61) KDM4EPTK2HTTCYP2A6POLB
SCHEMBL4734262 0.71 AXL (0.51) MAPTKDM4EPTK2CYP2A6POLB
SCHEMBL28508474 0.67 POLB (0.50) MAPTGAAKMT2AMEN1KDM4E
SCHEMBL1506104 0.67 CYP2A6 (0.55) PTK2CYP2A6POLBTNIK
SCHEMBL1658626 0.66 MEN1 (0.40) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL6585622 0.66 ALDH1A1 (0.61) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL4974 0.64
SCHEMBL12439727 0.63 ALDH1A1 (0.41) ALDH1A1PTK2CYP2A6
SCHEMBL1506025 0.63 NOTUM (0.51) KDM4EALDH1A1
SCHEMBL14993852 0.63 CYP2A6 (0.47) KDM4EPTK2HTTCYP2A6POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 EP disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 WO disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 MAPT 2015/4885GAA 525/4885KMT2A 3723/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.